(7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate

C318H357F15N16O121 — CID 159465134

IUPAC(7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(OC2CC(C)(O)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(OC2CC(N=[N+]=[N-])C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N=[N+]=[N-])C(OC2CC(C)(OC)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N=[N+]=[N-])C(OC2CC(OC)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)(O)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)(OC)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(OC)C(OC(C)=O)C(C)O2)C(C)O1
InChIInChI=1S/C39H44F3NO15.2C38H42F3NO15.C38H42F3NO14.C35H41N3O13.C34H39N3O13.C34H41NO13.C33H38N4O12.C29H28F3NO11/c1-15-34(58-25-14-37(5,53-7)35(16(2)55-25)56-18(4)45)21(43-36(50)39(40,41)42)11-24(54-15)57-23-13-38(51,17(3)44)12-20-27(23)33(49)29-28(31(20)47)30(46)19-9-8-10-22(52-6)26(19)32(29)48;1-14-34(57-25-11-22(52-6)35(15(2)54-25)55-17(4)44)20(42-36(49)38(39,40)41)10-24(53-14)56-23-13-37(50,16(3)43)12-19-27(23)33(48)29-28(31(19)46)30(45)18-8-7-9-21(51-5)26(18)32(29)47;1-14-33(57-24-13-36(5,50)34(15(2)54-24)55-17(4)44)20(42-35(49)38(39,40)41)10-23(53-14)56-22-12-37(51,16(3)43)11-19-26(22)32(48)28-27(30(19)46)29(45)18-8-7-9-21(52-6)25(18)31(28)47;1-14-10-24(52-15(2)34(14)54-18(5)44)56-35-16(3)53-25(11-21(35)42-36(49)38(39,40)41)55-23-13-37(50,17(4)43)12-20-27(23)33(48)29-28(31(20)46)30(45)19-8-7-9-22(51-6)26(19)32(29)47;1-14-32(51-23-13-34(4,47-6)33(44)15(2)49-23)19(37-38-36)10-22(48-14)50-21-12-35(45,16(3)39)11-18-25(21)31(43)27-26(29(18)41)28(40)17-8-7-9-20(46-5)24(17)30(27)42;1-13-28(39)20(46-5)10-23(47-13)50-33-14(2)48-22(9-18(33)36-37-35)49-21-12-34(44,15(3)38)11-17-25(21)32(43)27-26(30(17)41)29(40)16-7-6-8-19(45-4)24(16)31(27)42;1-13-31(48-22-12-33(4,42)32(41)14(2)46-22)18(35)9-21(45-13)47-20-11-34(43,15(3)36)10-17-24(20)30(40)26-25(28(17)38)27(37)16-7-6-8-19(44-5)23(16)29(26)39;1-12-27(39)18(36-37-35)9-22(46-12)49-32-13(2)47-21(8-17(32)34)48-20-11-33(44,14(3)38)10-16-24(20)31(43)26-25(29(16)41)28(40)15-6-5-7-19(45-4)23(15)30(26)42;1-10-22(35)14(33-27(40)29(30,31)32)7-17(43-10)44-16-9-28(41,11(2)34)8-13-19(16)26(39)21-20(24(13)37)23(36)12-5-4-6-15(42-3)18(12)25(21)38/h8-10,15-16,21,23-25,34-35,47,49,51H,11-14H2,1-7H3,(H,43,50);7-9,14-15,20,22-25,34-35,46,48,50H,10-13H2,1-6H3,(H,42,49);7-9,14-15,20,22-24,33-34,46,48,50-51H,10-13H2,1-6H3,(H,42,49);7-9,14-16,21,23-25,34-35,46,48,50H,10-13H2,1-6H3,(H,42,49);7-9,14-15,19,21-23,32-33,41,43-45H,10-13H2,1-6H3;6-8,13-14,18,20-23,28,33,39,41,43-44H,9-12H2,1-5H3;6-8,13-14,18,20-22,31-32,38,40-43H,9-12,35H2,1-5H3;5-7,12-13,17-18,20-22,27,32,39,41,43-44H,8-11,34H2,1-4H3;4-6,10,14,16-17,22,35,37,39,41H,7-9H2,1-3H3,(H,33,40)/t15?,16?,21?,23-,24?,25?,34?,35?,37?,38-;14?,15?,20?,22?,23-,24?,25?,34?,35?,37-;14?,15?,20?,22-,23?,24?,33?,34?,36?,37-;14?,15?,16?,21?,23-,24?,25?,34?,35?,37-;14?,15?,19?,21-,22?,23?,32?,33?,34?,35-;13?,14?,18?,20?,21-,22?,23?,28?,33?,34-;13?,14?,18?,20-,21?,22?,31?,32?,33?,34-;12?,13?,17?,18?,20-,21?,22?,27?,32?,33-;10?,14?,16-,17?,22?,28-/m000000000/s1
InChIKeyLVBTVJSHWALQAO-GKNYPUDESA-N
MW6624.32 g/mol
LogP23.66
Rot. Bonds68

About (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate

(7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate (PubChem CID 159465134) has the molecular formula C318H357F15N16O121 and a molecular weight of 6624.32 g/mol. Its IUPAC name is (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name(7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate
PubChem CID159465134
Molecular FormulaC318H357F15N16O121
Molecular Weight6624.32 g/mol
Exact Mass6620.20
IUPAC Name(7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(OC2CC(C)(O)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(OC2CC(N=[N+]=[N-])C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N=[N+]=[N-])C(OC2CC(C)(OC)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N=[N+]=[N-])C(OC2CC(OC)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)(O)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)(OC)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(OC)C(OC(C)=O)C(C)O2)C(C)O1
InChIInChI=1S/C39H44F3NO15.2C38H42F3NO15.C38H42F3NO14.C35H41N3O13.C34H39N3O13.C34H41NO13.C33H38N4O12.C29H28F3NO11/c1-15-34(58-25-14-37(5,53-7)35(16(2)55-25)56-18(4)45)21(43-36(50)39(40,41)42)11-24(54-15)57-23-13-38(51,17(3)44)12-20-27(23)33(49)29-28(31(20)47)30(46)19-9-8-10-22(52-6)26(19)32(29)48;1-14-34(57-25-11-22(52-6)35(15(2)54-25)55-17(4)44)20(42-36(49)38(39,40)41)10-24(53-14)56-23-13-37(50,16(3)43)12-19-27(23)33(48)29-28(31(19)46)30(45)18-8-7-9-21(51-5)26(18)32(29)47;1-14-33(57-24-13-36(5,50)34(15(2)54-24)55-17(4)44)20(42-35(49)38(39,40)41)10-23(53-14)56-22-12-37(51,16(3)43)11-19-26(22)32(48)28-27(30(19)46)29(45)18-8-7-9-21(52-6)25(18)31(28)47;1-14-10-24(52-15(2)34(14)54-18(5)44)56-35-16(3)53-25(11-21(35)42-36(49)38(39,40)41)55-23-13-37(50,17(4)43)12-20-27(23)33(48)29-28(31(20)46)30(45)19-8-7-9-22(51-6)26(19)32(29)47;1-14-32(51-23-13-34(4,47-6)33(44)15(2)49-23)19(37-38-36)10-22(48-14)50-21-12-35(45,16(3)39)11-18-25(21)31(43)27-26(29(18)41)28(40)17-8-7-9-20(46-5)24(17)30(27)42;1-13-28(39)20(46-5)10-23(47-13)50-33-14(2)48-22(9-18(33)36-37-35)49-21-12-34(44,15(3)38)11-17-25(21)32(43)27-26(30(17)41)29(40)16-7-6-8-19(45-4)24(16)31(27)42;1-13-31(48-22-12-33(4,42)32(41)14(2)46-22)18(35)9-21(45-13)47-20-11-34(43,15(3)36)10-17-24(20)30(40)26-25(28(17)38)27(37)16-7-6-8-19(44-5)23(16)29(26)39;1-12-27(39)18(36-37-35)9-22(46-12)49-32-13(2)47-21(8-17(32)34)48-20-11-33(44,14(3)38)10-16-24(20)31(43)26-25(29(16)41)28(40)15-6-5-7-19(45-4)23(15)30(26)42;1-10-22(35)14(33-27(40)29(30,31)32)7-17(43-10)44-16-9-28(41,11(2)34)8-13-19(16)26(39)21-20(24(13)37)23(36)12-5-4-6-15(42-3)18(12)25(21)38/h8-10,15-16,21,23-25,34-35,47,49,51H,11-14H2,1-7H3,(H,43,50);7-9,14-15,20,22-25,34-35,46,48,50H,10-13H2,1-6H3,(H,42,49);7-9,14-15,20,22-24,33-34,46,48,50-51H,10-13H2,1-6H3,(H,42,49);7-9,14-16,21,23-25,34-35,46,48,50H,10-13H2,1-6H3,(H,42,49);7-9,14-15,19,21-23,32-33,41,43-45H,10-13H2,1-6H3;6-8,13-14,18,20-23,28,33,39,41,43-44H,9-12H2,1-5H3;6-8,13-14,18,20-22,31-32,38,40-43H,9-12,35H2,1-5H3;5-7,12-13,17-18,20-22,27,32,39,41,43-44H,8-11,34H2,1-4H3;4-6,10,14,16-17,22,35,37,39,41H,7-9H2,1-3H3,(H,33,40)/t15?,16?,21?,23-,24?,25?,34?,35?,37?,38-;14?,15?,20?,22?,23-,24?,25?,34?,35?,37-;14?,15?,20?,22-,23?,24?,33?,34?,36?,37-;14?,15?,16?,21?,23-,24?,25?,34?,35?,37-;14?,15?,19?,21-,22?,23?,32?,33?,34?,35-;13?,14?,18?,20?,21-,22?,23?,28?,33?,34-;13?,14?,18?,20-,21?,22?,31?,32?,33?,34-;12?,13?,17?,18?,20-,21?,22?,27?,32?,33-;10?,14?,16-,17?,22?,28-/m000000000/s1
InChIKeyLVBTVJSHWALQAO-GKNYPUDESA-N
XLogP23.66
TPSA2031.54 Ų
H-Bond Donors41
H-Bond Acceptors126
Rotatable Bonds68
Heavy Atoms470
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006624.32
LogP ≤ 523.66
H-Bond Donors ≤ 541
H-Bond Acceptors ≤ 10126

Analyze (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
CID 58767002
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 11319864
(7S,9S)-9-acetyl-7-[4-azido-5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 58767011
N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-(methoxymethoxy)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 88792265
[(2S,3R,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl] acetate
CID 165366127
9-acetyl-7-[4-amino-5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 4013
N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxooxan-4-yl]-2,2,2-trifluoroacetamide;methanol
CID 158907576
(9S)-9-acetyl-7-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 6712214
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
CID 175316200
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 87815462
N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2-oxopropanamide
CID 10984840
(9R)-9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
CID 176525761

Frequently Asked Questions

What is the IUPAC name of (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate?
The IUPAC name of (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate (CID 159465134) is (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate.
What is the SMILES notation for (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate?
The canonical SMILES for (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate is COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(OC2CC(C)(O)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(OC2CC(N=[N+]=[N-])C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N=[N+]=[N-])C(OC2CC(C)(OC)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N=[N+]=[N-])C(OC2CC(OC)C(O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)(O)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)(OC)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(C)C(OC(C)=O)C(C)O2)C(C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(=O)C(F)(F)F)C(OC2CC(OC)C(OC(C)=O)C(C)O2)C(C)O1.
What is the InChIKey of (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate?
The InChIKey is LVBTVJSHWALQAO-GKNYPUDESA-N. The full InChI is InChI=1S/C39H44F3NO15.2C38H42F3NO15.C38H42F3NO14.C35H41N3O13.C34H39N3O13.C34H41NO13.C33H38N4O12.C29H28F3NO11/c1-15-34(58-25-14-37(5,53-7)35(16(2)55-25)56-18(4)45)21(43-36(50)39(40,41)42)11-24(54-15)57-23-13-38(51,17(3)44)12-20-27(23)33(49)29-28(31(20)47)30(46)19-9-8-10-22(52-6)26(19)32(29)48;1-14-34(57-25-11-22(52-6)35(15(2)54-25)55-17(4)44)20(42-36(49)38(39,40)41)10-24(53-14)56-23-13-37(50,16(3)43)12-19-27(23)33(48)29-28(31(19)46)30(45)18-8-7-9-21(51-5)26(18)32(29)47;1-14-33(57-24-13-36(5,50)34(15(2)54-24)55-17(4)44)20(42-35(49)38(39,40)41)10-23(53-14)56-22-12-37(51,16(3)43)11-19-26(22)32(48)28-27(30(19)46)29(45)18-8-7-9-21(52-6)25(18)31(28)47;1-14-10-24(52-15(2)34(14)54-18(5)44)56-35-16(3)53-25(11-21(35)42-36(49)38(39,40)41)55-23-13-37(50,17(4)43)12-20-27(23)33(48)29-28(31(20)46)30(45)19-8-7-9-22(51-6)26(19)32(29)47;1-14-32(51-23-13-34(4,47-6)33(44)15(2)49-23)19(37-38-36)10-22(48-14)50-21-12-35(45,16(3)39)11-18-25(21)31(43)27-26(29(18)41)28(40)17-8-7-9-20(46-5)24(17)30(27)42;1-13-28(39)20(46-5)10-23(47-13)50-33-14(2)48-22(9-18(33)36-37-35)49-21-12-34(44,15(3)38)11-17-25(21)32(43)27-26(30(17)41)29(40)16-7-6-8-19(45-4)24(16)31(27)42;1-13-31(48-22-12-33(4,42)32(41)14(2)46-22)18(35)9-21(45-13)47-20-11-34(43,15(3)36)10-17-24(20)30(40)26-25(28(17)38)27(37)16-7-6-8-19(44-5)23(16)29(26)39;1-12-27(39)18(36-37-35)9-22(46-12)49-32-13(2)47-21(8-17(32)34)48-20-11-33(44,14(3)38)10-16-24(20)31(43)26-25(29(16)41)28(40)15-6-5-7-19(45-4)23(15)30(26)42;1-10-22(35)14(33-27(40)29(30,31)32)7-17(43-10)44-16-9-28(41,11(2)34)8-13-19(16)26(39)21-20(24(13)37)23(36)12-5-4-6-15(42-3)18(12)25(21)38/h8-10,15-16,21,23-25,34-35,47,49,51H,11-14H2,1-7H3,(H,43,50);7-9,14-15,20,22-25,34-35,46,48,50H,10-13H2,1-6H3,(H,42,49);7-9,14-15,20,22-24,33-34,46,48,50-51H,10-13H2,1-6H3,(H,42,49);7-9,14-16,21,23-25,34-35,46,48,50H,10-13H2,1-6H3,(H,42,49);7-9,14-15,19,21-23,32-33,41,43-45H,10-13H2,1-6H3;6-8,13-14,18,20-23,28,33,39,41,43-44H,9-12H2,1-5H3;6-8,13-14,18,20-22,31-32,38,40-43H,9-12,35H2,1-5H3;5-7,12-13,17-18,20-22,27,32,39,41,43-44H,8-11,34H2,1-4H3;4-6,10,14,16-17,22,35,37,39,41H,7-9H2,1-3H3,(H,33,40)/t15?,16?,21?,23-,24?,25?,34?,35?,37?,38-;14?,15?,20?,22?,23-,24?,25?,34?,35?,37-;14?,15?,20?,22-,23?,24?,33?,34?,36?,37-;14?,15?,16?,21?,23-,24?,25?,34?,35?,37-;14?,15?,19?,21-,22?,23?,32?,33?,34?,35-;13?,14?,18?,20?,21-,22?,23?,28?,33?,34-;13?,14?,18?,20-,21?,22?,31?,32?,33?,34-;12?,13?,17?,18?,20-,21?,22?,27?,32?,33-;10?,14?,16-,17?,22?,28-/m000000000/s1.
What are the key properties of (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate?
(7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate has a molecular weight of 6624.32 g/mol, XLogP of 23.66, 68 rotatable bonds, 41 hydrogen bond donors, and 126 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9S)-9-acetyl-7-[4-amino-5-(4-azido-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-amino-5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(7S,9S)-9-acetyl-7-[4-azido-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2,4-dimethyloxan-3-yl] acetate;[6-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate is sourced from PubChem (CID 159465134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).